(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C15H25Cl2N3O2 — CID 120940688

IUPAC(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1N(C)C.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-11-14(16-8-9-20-11)15(19)17-10-12-6-4-5-7-13(12)18(2)3;;/h4-7,11,14,16H,8-10H2,1-3H3,(H,17,19);2*1H/t11-,14+;;/m1../s1
InChIKeyCPDHPLRZRYKQFS-LDDNZVBMSA-N
MW350.29 g/mol
LogP1.59
Rot. Bonds4

About (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120940688) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120940688
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1N(C)C.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-11-14(16-8-9-20-11)15(19)17-10-12-6-4-5-7-13(12)18(2)3;;/h4-7,11,14,16H,8-10H2,1-3H3,(H,17,19);2*1H/t11-,14+;;/m1../s1
InChIKeyCPDHPLRZRYKQFS-LDDNZVBMSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-2-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920799
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-[2-(2-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120919267

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120940688) is (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1ccccc1N(C)C.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is CPDHPLRZRYKQFS-LDDNZVBMSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-11-14(16-8-9-20-11)15(19)17-10-12-6-4-5-7-13(12)18(2)3;;/h4-7,11,14,16H,8-10H2,1-3H3,(H,17,19);2*1H/t11-,14+;;/m1../s1.
What are the key properties of (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120940688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).